N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide

C13H10ClN3O2 — CID 135458873

IUPACN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cc(Cl)ccc1O)c1ccncc1
InChIInChI=1S/C13H10ClN3O2/c14-11-1-2-12(18)10(7-11)8-16-17-13(19)9-3-5-15-6-4-9/h1-8,18H,(H,17,19)/b16-8+
InChIKeyXBMCOYHOYXSRDF-LZYBPNLTSA-N
MW275.70 g/mol
LogP2.20
Rot. Bonds3

About N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 135458873) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID135458873
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC NameN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cc(Cl)ccc1O)c1ccncc1
InChIInChI=1S/C13H10ClN3O2/c14-11-1-2-12(18)10(7-11)8-16-17-13(19)9-3-5-15-6-4-9/h1-8,18H,(H,17,19)/b16-8+
InChIKeyXBMCOYHOYXSRDF-LZYBPNLTSA-N
XLogP2.20
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 135458873) is N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1cc(Cl)ccc1O)c1ccncc1.
What is the InChIKey of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is XBMCOYHOYXSRDF-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c14-11-1-2-12(18)10(7-11)8-16-17-13(19)9-3-5-15-6-4-9/h1-8,18H,(H,17,19)/b16-8+.
What are the key properties of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 275.70 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135458873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).